2H-thieno[3,2-b]azepin-2-amine

C8H8N2S — CID 157042628

IUPAC2H-thieno[3,2-b]azepin-2-amine
SMILESC1=CC=NC2=CC(SC2=C1)N
InChIInChI=1S/C8H8N2S/c9-8-5-6-7(11-8)3-1-2-4-10-6/h1-5,8H,9H2
InChIKeyCXYHEPQGELPZFG-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.30
Rot. Bonds

About 2H-thieno[3,2-b]azepin-2-amine

2H-thieno[3,2-b]azepin-2-amine (PubChem CID 157042628) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2H-thieno[3,2-b]azepin-2-amine.

Molecular Properties

Compound Name2H-thieno[3,2-b]azepin-2-amine
PubChem CID157042628
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name2H-thieno[3,2-b]azepin-2-amine
SMILESC1=CC=NC2=CC(SC2=C1)N
InChIInChI=1S/C8H8N2S/c9-8-5-6-7(11-8)3-1-2-4-10-6/h1-5,8H,9H2
InChIKeyCXYHEPQGELPZFG-UHFFFAOYSA-N
XLogP0.30
TPSA63.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity286

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2H-thieno[3,2-b]azepin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2H-thieno[3,2-b]azepin-2-amine?
The IUPAC name of 2H-thieno[3,2-b]azepin-2-amine (CID 157042628) is 2H-thieno[3,2-b]azepin-2-amine.
What is the SMILES notation for 2H-thieno[3,2-b]azepin-2-amine?
The canonical SMILES for 2H-thieno[3,2-b]azepin-2-amine is C1=CC=NC2=CC(SC2=C1)N.
What is the InChIKey of 2H-thieno[3,2-b]azepin-2-amine?
The InChIKey is CXYHEPQGELPZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c9-8-5-6-7(11-8)3-1-2-4-10-6/h1-5,8H,9H2.
What are the key properties of 2H-thieno[3,2-b]azepin-2-amine?
2H-thieno[3,2-b]azepin-2-amine has a molecular weight of 164.23 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thieno[3,2-b]azepin-2-amine is sourced from PubChem (CID 157042628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).